CID 79882

Neopentylamine

Structural Information

Molecular Formula

C₅H₁₃N

SMILES

CC(C)(C)CN

InChI

InChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3

InChIKey

XDIAMRVROCPPBK-UHFFFAOYSA-N

Compound name

2,2-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 9958
Patents: 87.1048 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	88.112076	118.0
[M+Na]+	110.09402	128.0
[M+NH4]+	105.13862	126.7
[M+K]+	126.06796	123.1
[M-H]-	86.097524	118.2
[M+Na-2H]-	108.07947	122.6
[M]+	87.104251	119.4
[M]-	87.105349	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe